Electrolyte Analysis Model Optimization via Hybrid Simulation
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Solution Overview
Problem
Current tools are unable to simultaneously achieve authenticity and accuracy in the simulation of electrolytes, which is crucial for the design and iteration of electrolyte materials in wearable devices, electric vehicles, and other applications.
Innovation Solution
A method and apparatus for optimizing and training analysis models by fine-tuning them with specific sets of values regarding properties of target materials, determining associations between these properties, and using reference values from experiments to optimize the models. Additionally, the method involves determining feature representations of atoms in electrolyte samples, calculating electric charge and energy information, and training the models using these data points with a loss function that includes multipolar moments and force information.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Speed
If current simulation tools are used for electrolyte analysis, then computational speed is improved, but simulation accuracy and authenticity deteriorate
Solution Approach 1:
The patent merges multiple simulation tools with different strengths into a unified hybrid simulation system. Fast simulation tools provide computational speed while accurate simulation tools provide precision, and their results are integrated through a correction mechanism that combines the advantages of both approaches to achieve high-speed accurate simulation.
Solution Approach 2:
The patent introduces a correction mechanism as an intermediary between fast and accurate simulation tools. This mediator processes results from both simulation approaches, reconciles their differences, and produces final results that inherit the speed advantage of fast simulation while achieving the accuracy of precise simulation.
2Device complexity
If current simulation tools are used for electrolyte analysis, then device complexity is reduced, but simulation authenticity deteriorates
Solution Approach 1:
The patent segments the simulation process into distinct modules: a fast simulation module for initial computation, an accurate simulation module for precision calculation, and a correction mechanism for result integration. This segmentation allows each module to be optimized independently while maintaining overall system manageability and authenticity.
Solution Approach 2:
The correction mechanism serves as an intermediary that bridges simple simulation tools and complex authentic simulation requirements. It enhances the authenticity of results from simpler tools by incorporating corrections from more accurate simulations without requiring the full complexity of high-fidelity simulations throughout the entire system.
Data Source
AI summary
The embodiment of the invention provides method, apparatus, device and a storage medium for training and optimizing an analysis model. The method of optimizing the analysis model includes: fine-tuning an analysis model with a first set of values regarding a first property of a target material to determine a second set of values regarding a second property of the target material; determining an association between the first property and the second property of the target material based on a first set of values and a second set of values; determining a target value of the target material regarding the first property with the association based on a reference value of the target material regarding the second property, the reference value being determined based on an experiment on target material; and optimizing the analysis model with the target value of the target material regarding the first property. In this way, embodiments of the present disclosure can utilize limited experimental data to optimize the analysis model.